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Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
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Defines the standard term associated to the Lennard Jones contribution. More...
#include <Molecular_potential_energy.hpp>
Public Types | |
typedef T_Molecular_potential_energy_Lennard_Jones_term< ConformationType, CovalentStructure, PotentialEnergyParameters > | Self |
typedef ConformationType | Conformation |
typedef PotentialEnergyParameters | Potential_energy_parameters |
typedef T_Molecular_primitive_internal_coordinates< Conformation, CovalentStructure > | Internal_coordinates |
typedef SBL::Models::T_Conformation_traits< Conformation > | Conformation_traits |
typedef Conformation_traits::FT | FT |
typedef CovalentStructure::Particle_rep | Particle_rep |
typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity | Molar_energy_quantity |
Public Member Functions | |
Molar_energy_quantity | operator() (const ConformationType &C, const CovalentStructure &S, const std::pair< Particle_rep, Particle_rep > &p) const |
Static Public Attributes | |
static bool | s_dump_flag |
static std::string | s_ofname |
static std::ofstream | s_ostream |
Defines the standard term associated to the Lennard Jones contribution.
Defines the standard term associated to the Lennard Jones contribution.
ConformationType | The type of the input geometric conformation, as defined in the package ConformationTraits |
CovalentStructure | The type of the input covalent structure, as defined in the package Molecular_covalent_structure |
PotentialEnergyParameters | Class defining the parameters of the associated force field as the class SBL::IO::T_Potential_energy_parameters |
typedef ConformationType Conformation |
typedef Conformation_traits::FT FT |
typedef T_Molecular_primitive_internal_coordinates<Conformation, CovalentStructure> Internal_coordinates |
typedef PotentialEnergyParameters::Unit_system_traits::Molar_energy_quantity Molar_energy_quantity |
typedef CovalentStructure::Particle_rep Particle_rep |
typedef PotentialEnergyParameters Potential_energy_parameters |
typedef T_Molecular_potential_energy_Lennard_Jones_term<ConformationType, CovalentStructure,PotentialEnergyParameters> Self |
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